6PX9
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D, E... | Caspase-8 | polymer | 274 | 31196.3 | 6 | UniProt (Q14790) Pfam (PF00656) In PDB | Homo sapiens (Human) | CASP-8,Apoptotic cysteine protease,Apoptotic protease Mch-5,CAP4,FADD-homologous ICE/ced-3-like protease,FADD-like ICE,FLICE,ICE-like apoptotic protease 5,MORT1-associated ced-3 homolog,MACH |
2 | B | N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide | non-polymer | 407.5 | 1 | Chemie (63R) | |||
3 | water | water | 18.0 | 3 | Chemie (HOH) |
Sequence modifications
A, B, C, D, E, F: 217 - 479 (UniProt: Q14790)
PDB | External Database | Details |
---|---|---|
Ala 374 | Asp 433 | engineered mutation |
Ala 384 | Asp 443 | engineered mutation |
Ser 409 | Cys 468 | engineered mutation |
Ser 433 | Cys 492 | engineered mutation |
Ala 480 | - | expression tag |
Ala 481 | - | expression tag |
Ala 482 | - | expression tag |
Leu 483 | - | expression tag |
Glu 484 | - | expression tag |
His 485 | - | expression tag |
His 486 | - | expression tag |
His 487 | - | expression tag |
His 488 | - | expression tag |
His 489 | - | expression tag |
His 490 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 6 |
Total formula weight | 187177.6 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 407.5 | |
All* | Total formula weight | 187585.1 |